Datasets:

Queimo
/

pubchemqc-cosmo-pm6

Tasks:

Tabular Regression

Modalities:

Formats:

Size:

Libraries:

License:

Dataset card Data Studio Files Files and versions

pubchemqc-cosmo-pm6

806 MB

Ctrl+K

Ctrl+K

1 contributor

History: 4 commits

Queimo's picture

Record full coverage, composition, split and Hub checksum validation

be2d707 verified 17 days ago

data
All 361583 COSMO profiles joined to original neutral PM6 geometries 17 days ago
raw
Archive checksum-verified original COSMO profiles and index 17 days ago
.gitattributes

2.5 kB
initial commit 17 days ago
README.md

1.88 kB
All 361583 COSMO profiles joined to original neutral PM6 geometries 17 days ago
label_transform.json

9.79 kB
All 361583 COSMO profiles joined to original neutral PM6 geometries 17 days ago
manifest.json

2.96 kB
All 361583 COSMO profiles joined to original neutral PM6 geometries 17 days ago
missing_cids.json

2 Bytes
All 361583 COSMO profiles joined to original neutral PM6 geometries 17 days ago
pm6_source.json

1.13 kB
All 361583 COSMO profiles joined to original neutral PM6 geometries 17 days ago
smiles_geometry_mismatches.json

2 Bytes
All 361583 COSMO profiles joined to original neutral PM6 geometries 17 days ago
validation_report.json

440 Bytes
Record full coverage, composition, split and Hub checksum validation 17 days ago